1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

C9H11N3O2S — CID 64955458

IUPAC1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCC(c1nccs1)N1CC(=O)NCC1=O
InChIInChI=1S/C9H11N3O2S/c1-6(9-10-2-3-15-9)12-5-7(13)11-4-8(12)14/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyCSQNSXOQNPSWRQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.16
Rot. Bonds2

About 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64955458) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64955458
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCC(c1nccs1)N1CC(=O)NCC1=O
InChIInChI=1S/C9H11N3O2S/c1-6(9-10-2-3-15-9)12-5-7(13)11-4-8(12)14/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyCSQNSXOQNPSWRQ-UHFFFAOYSA-N
XLogP0.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64956136
5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710923
3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
CID 64972721
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 77097457
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973322
1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64953645
3-amino-4-[1-(1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 64571546
1-hexan-3-ylpiperazine-2,5-dione
CID 64955992
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64955458) is 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is CC(c1nccs1)N1CC(=O)NCC1=O.
What is the InChIKey of 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is CSQNSXOQNPSWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-6(9-10-2-3-15-9)12-5-7(13)11-4-8(12)14/h2-3,6H,4-5H2,1H3,(H,11,13).
What are the key properties of 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 225.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64955458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).